Basic information
- CAS
70301-78-9- Standard SMILES
CCOC(=O)c1c(C)oc2cc(Br)c(O)c(CN3CCN(C)CC3)c12- InChIKey
FIGLTETXRNSLKM-UHFFFAOYSA-N- Molecular formula
- C18H23BrN2O4
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.08412
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-4-((4-methyl-1-piperazinyl)methyl)-, ethyl ester
- IUPAC
- ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate
Names & synonyms
3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-4-((4-methyl-1-piperazinyl)methyl)-, ethyl ester70301-78-9BRN 0896603ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylateDTXSID60220580
Database identifiers
- CAS
70301-78-9- PubChem CID
- 47769
- DTXSID
DTXSID60220580- Nikkaji
- J71.503D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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